- InChI
- InChI=1S/C20H19NO4/c1-13-16(12-19(22)25-3)17-11-15(24-2)9-10-18(17)21(13)20(23)14-7-5-4-6-8-14/h4-11H,12H2,1-3H3
- InChI Key
- WSUSASHXYDWAHF-UHFFFAOYSA-N
- Formula
- C20H19NO4
- SMILES
-
COC(=O)Cc1c(C)n(C(=O)c2ccccc2)
c2ccc(OC)cc12 - Molecular Weight1
- 337.37
- Other Names
-
- Indometacin, methyl ester
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.8423 | Relay (1.0) Calculated Property | |
| ΔfG° | -47.73 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -415.50 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 121.90 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.66 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.16 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.362 | Crippen Calculated Property | |
| McVol | 254.840 | ml/mol | McGowan Calculated Property |
| Pc | 1425.65 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 709.27 | K | Relay (1.0) Calculated Property |
| Tc | 1010.09 | K | Relay (1.0) Calculated Property |
| Tfus | 378.78 | K | Relay (1.0) Calculated Property |
| Vc | 0.928 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Indometacin, methylated.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- McGowan Method
- NIST Webbook
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